1-[3-methyl-4-(6-methylpyridin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)quinolin-3-yl]urea

Systemtic Name: 1-[3-methyl-4-(6-methylpyridin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)quinolin-3-yl]urea Openeye Name: 1-[3-methyl-4-(6-methyl-2-pyridyl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-3-quinolyl]urea CAS Name: 1-[3-methyl-4-(6-methyl-2-pyridinyl)phenyl]-3-[5-(4-methyl-1-piperazinyl)-3-quinolinyl]urea IUPAC Name: 1-[3-methyl-4-(6-methylpyridin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)quinolin-3-yl]urea Traditional Name: 1-[3-methyl-4-(6-methyl-2-pyridyl)phenyl]-3-[5-(4-methylpiperazino)-3-quinolyl]urea Formula: C28H30N6O MolecularWeight: 466.5774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2=C(C=C(C=C2)NC(=O)NC3=CN=C4C=CC=C(C4=C3)N5CCN(CC5)C)C

Isomeric SMILES

CC1=CC=CC(=N1)C2=C(C=C(C=C2)NC(=O)NC3=CN=C4C=CC=C(C4=C3)N5CCN(CC5)C)C

InChI

InChI=1S/C28H30N6O/c1-19-16-21(10-11-23(19)26-8-4-6-20(2)30-26)31-28(35)32-22-17-24-25(29-18-22)7-5-9-27(24)34-14-12-33(3)13-15-34/h4-11,16-18H,12-15H2,1-3H3,(H2,31,32,35)